[1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole

C32H44N2O — CID 176568474

IUPAC[1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
SMILESCC(C)C1(C(C)C)c2ccccc2CCC1CO.CCC1(C(C)C)c2ccccc2-c2cn[nH]c21
InChIInChI=1S/C17H26O.C15H18N2/c1-12(2)17(13(3)4)15(11-18)10-9-14-7-5-6-8-16(14)17;1-4-15(10(2)3)13-8-6-5-7-11(13)12-9-16-17-14(12)15/h5-8,12-13,15,18H,9-11H2,1-4H3;5-10H,4H2,1-3H3,(H,16,17)
InChIKeySUVYNHVRJOBVTM-UHFFFAOYSA-N
MW472.72 g/mol
LogP7.53
Rot. Bonds5

About [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole

[1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole (PubChem CID 176568474) has the molecular formula C32H44N2O and a molecular weight of 472.72 g/mol. Its IUPAC name is [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole.

Molecular Properties

Compound Name[1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
PubChem CID176568474
Molecular FormulaC32H44N2O
Molecular Weight472.72 g/mol
Exact Mass472.35
IUPAC Name[1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
SMILESCC(C)C1(C(C)C)c2ccccc2CCC1CO.CCC1(C(C)C)c2ccccc2-c2cn[nH]c21
InChIInChI=1S/C17H26O.C15H18N2/c1-12(2)17(13(3)4)15(11-18)10-9-14-7-5-6-8-16(14)17;1-4-15(10(2)3)13-8-6-5-7-11(13)12-9-16-17-14(12)15/h5-8,12-13,15,18H,9-11H2,1-4H3;5-10H,4H2,1-3H3,(H,16,17)
InChIKeySUVYNHVRJOBVTM-UHFFFAOYSA-N
XLogP7.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole with MolForge

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Related Compounds

(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol
CID 176704154
9-ethyl-9-propan-2-ylfluorene
CID 142424661
4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
CID 169145361
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one
CID 177033709
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
CID 43830917
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
2-methylidene-3-propan-2-yl-3-[(3-propan-2-yl-1H-inden-2-yl)methyl]-1H-indene
CID 100983243
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954

Frequently Asked Questions

What is the IUPAC name of [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
The IUPAC name of [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole (CID 176568474) is [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole.
What is the SMILES notation for [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
The canonical SMILES for [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole is CC(C)C1(C(C)C)c2ccccc2CCC1CO.CCC1(C(C)C)c2ccccc2-c2cn[nH]c21.
What is the InChIKey of [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
The InChIKey is SUVYNHVRJOBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C15H18N2/c1-12(2)17(13(3)4)15(11-18)10-9-14-7-5-6-8-16(14)17;1-4-15(10(2)3)13-8-6-5-7-11(13)12-9-16-17-14(12)15/h5-8,12-13,15,18H,9-11H2,1-4H3;5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
[1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole has a molecular weight of 472.72 g/mol, XLogP of 7.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-di(propan-2-yl)-3,4-dihydro-2H-naphthalen-2-yl]methanol;4-ethyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole is sourced from PubChem (CID 176568474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).